SCHEMBL4040076

SCHEMBL4040076

O=C(NCc1ccc(Cl)cc1Cl)C1CN(C(=O)c2ccccn2)CCN1S(=O)(=O)c1ccc2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
P2RX7 Q99572 8/20 0.46
CCR4 P51679 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4036678 0.92 CA12 (0.47) EPHX2P2RX7CA12CA1CA2
SCHEMBL4035552 0.90 P2RX7 (0.51) EPHX2P2RX7
SCHEMBL4032375 0.87 CA12 (0.46) EPHX2P2RX7CA12CA1CA2
SCHEMBL4033312 0.87 P2RX7 (0.45) EPHX2P2RX7
SCHEMBL4033086 0.86 MMP1 (0.50) EPHX2GAASMN1; SMN2P2RX7
SCHEMBL4037666 0.86 ALDH1A1 (0.52) EPHX2TSHRP2RX7CCR4
SCHEMBL4038771 0.84 P2RX7 (0.45) EPHX2SMN1; SMN2P2RX7
SCHEMBL4038132 0.83 MMP1 (0.44) SMN1; SMN2P2RX7
SCHEMBL4032675 0.82 GAA (0.48) GAASMN1; SMN2
SCHEMBL4034716 0.81 P2RX7 (0.42) EPHX2P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed